EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75863 - quercetin 3-O-α-L-fucopyranoside

Default Structure
ChEBI IDCHEBI:75863
ChEBI Namequercetin 3-O-α-L-fucopyranoside
Stars
ASCII Namequercetin 3-O-alpha-L-fucopyranoside
DefinitionA quercetin O-glycoside that is quercetin attached to a α-L-fucopyranosyl moiety at position 3 via a glycosidic linkage.
Last Modified26 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1
InChIKeyOXGUCUVFOIWWQJ-XIMSSLRFSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-α-L-fucopyranoside (CHEBI:75863) has functional parent α-L-fucose (CHEBI:42548)
quercetin 3-O-α-L-fucopyranoside (CHEBI:75863) has role metabolite (CHEBI:25212)
quercetin 3-O-α-L-fucopyranoside (CHEBI:75863) is a monosaccharide derivative (CHEBI:63367)
quercetin 3-O-α-L-fucopyranoside (CHEBI:75863) is a quercetin O-glycoside (CHEBI:76424)
quercetin 3-O-α-L-fucopyranoside (CHEBI:75863) is a tetrahydroxyflavone (CHEBI:38684)
quercetin 3-O-α-L-fucopyranoside (CHEBI:75863) is a α-L-fucoside (CHEBI:28349)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-galactopyranoside
Registry NumbersSources
Reaxys:11263624Reaxys